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KL1

概要
表記:6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H25 F2 N3
電荷:0
化学式量:333.419 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.016-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits2.0.66-[2-[5-[3-(dimethylamino)propyl]-2,3-bis(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F)F
InChIInChI1.03InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23)
InChIKeyInChI1.03IOUZWWFXRZKIKT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
SMILESCACTVS3.385CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C

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件を2024-07-17に公開中

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